{% extends "base.html" %}



{% block title %}RMG: Solvation Tools{% endblock %}

{% block extrahead %}{% endblock %}

{% block navbar_items %}
<li><a href="{% url 'database:solvation-search' %}">Solvation Tools</a></li>
{% endblock %}

{% block sidebar_items %}
{% endblock %}

{% block page_title %}Solvation Tools{% endblock %}

{% block page_body %}


    <ol>
        <li><a href ="{% url 'database:solvation-solventSearch' %}">Solvent Search</a>: search Abraham and Mintz solvent
        parameters and other solvent-specific parameters (e.g. viscosity) from RMG-database by entering species
        identifiers. Use this tool to check whether a solvent of your interest is available for RMG liquid
        reactor simulation.<P>
        <li><a href ="{% url 'database:solvation-soluteSearch' %}">Solute Parameter Search & Prediction (optional
        solvation free energy, enthalpy, and entropy prediction using the LSER)</a>: search for Abraham
        solute parameters (E, S, A, B, L, V) from RMG-database or get the prediction from a group additivity model
        (SoluteGC) and a machine learning model (SoluteML) by entering a solute SMILES(s). Optionally, get solvation
        free energy, enthalpy, and entropy prediction at 298 K from the solute and solvent parameters using the
        LSER (Linear Solvation Energy Relationship) approach.<P>
        <li><a href ="{% url 'database:solvation-searchML' %}">Solvation Free Energy, Enthalpy, and Entropy Prediction
        at 298 K Using a Machine Learning Model</a>:
        get solvation free energy, enthalpy, and entropy prediction at 298 K from a machine learning model (DirectML)
        by entering SMILES of a solvent and a solute. LogK and logP (dry) prediction is also available.<P>
        <li><a href ="{% url 'database:solvation-searchTempDep' %}">Temperature-Dependent Solvation Free Energy, Vapor–Liquid
        Equilibria, and Henry's Law Constant Prediction</a>: get solvation free energy, VLE, and Henry's law constant
        prediction along the solvent's saturation curve at any temperature of interest by entering SMILES of a solvent
        and a solute. LogK and logP (dry) prediction is also available. This temperature-dependence search is
        currently limited to certain solvents.<P>
        <li>Solid Solubility Prediction: upcoming<P>
					</ol>

<p>&nbsp;</p>
Note:
<i>
    We caution that while our solvation tools work well overall, it is possible that they mispredict
    solvation properties or parameters of particular solvents, solutes, or solvent-solute pairs. The authors assume
    no liability for the predictions which turn out to be erroneous. </i>

{% endblock %}
